Crystallography Open Database

Information card for entry 4001326

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Coordinates	4001326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H156 Co12 O114 Zn8
Calculated formula	C128 H88 Co12 O114 Zn8
Title of publication	Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation
Authors of publication	Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	9
Pages of publication	2162
a	21.881 ± 0.011 Å
b	7.07 ± 0.003 Å
c	26.967 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	4172 ± 3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.1479
Residual factor for significantly intense reflections	0.126
Weighted residual factors for significantly intense reflections	0.2851
Weighted residual factors for all reflections included in the refinement	0.2947
Goodness-of-fit parameter for all reflections included in the refinement	1.319
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001326.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001326.cif
45182	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001326 via cif-deposit CGI script.	4001326.cif